SCHEMBL7005890

SCHEMBL7005890

CCOC(=O)CCCCCNC(CCCCCNc1nsc2nccn12)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 10/20 0.45
TGM1 P22735 4/20 0.43
ALOX15 P16050 1/20 0.35
NR3C2 P08235 1/20 0.33
HTT P42858 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.31
FAAH O00519 1/20 0.31
BRD4 O60885 1/20 0.30
KAT6A Q92794 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7005895 0.86 F13A1 (0.48) F13A1TGM1ALOX15NR3C2HTT
SCHEMBL7010746 0.83 F13A1 (0.48) F13A1TGM1ALOX15NR3C2HTT
SCHEMBL7009658 0.75 F13A1 (0.67) F13A1TGM1NR3C2
SCHEMBL7004703 0.75 F13A1 (0.52) F13A1TGM1NR3C2PIK3C3KAT6A
SCHEMBL7004258 0.75 F13A1 (0.52) F13A1TGM1NR3C2
SCHEMBL7002966 0.74 F13A1 (0.52) F13A1TGM1NR3C2
SCHEMBL7004697 0.72 F13A1 (0.51) F13A1TGM1NR3C2KAT6A
SCHEMBL7004829 0.71 F13A1 (0.76) F13A1TGM1NR3C2
SCHEMBL7005641 0.69 F13A1 (0.65) F13A1TGM1NR3C2
SCHEMBL7004052 0.67 F13A1 (0.56) F13A1TGM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 EP disclosed